Chem
J-GLOBAL ID：200907099582867271   Nikkaji number：J1.235.212C

3,6-Dioxabenzo[a]pyrene

3,6-ジオキサベンゾ[a]ピレン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H10O2
Molecular formula furigana： C18-H10-O2
Molecular weight： 258.276
InChI： InChI=1S/C18H10O2/c1-2-4-14-12(3-1)13-6-5-11-9-10-19-15-7-8-16(20-14)18(13)17(11)15/h1-10H
InChI key： JHDGSWOZAWWAMF-UHFFFAOYSA-N
SMILES： c1ccc2c(c1)Oc1ccc3OC=Cc4ccc2c1c34
Systematic name  (3)：
  • 3,6-ジオキサベンゾ[a]ピレン
  • 8,13-ジオキサペンタシクロ[10.6.2.02,7.09,19.016,20]イコサ-1(18),2,4,6,9,11,14,16,19-ノナエン
  • 8,13-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9,11,14,16,19-nonaene
Other name (1)：
  • 3,6-Dioxabenzo[a]pyrene
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